Glycoside
GD154827
Name:
3-oxo-3-({3,4,5-trihydroxy-6-[(3,7,11,15-tetramethyl-16-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadeca-1,6,10,14-tetraen-3-yl)oxy]oxan-2-yl}methoxy)propanoic acidFormula:
C35H56O15Smiles:
C=CC(C)(CCC=C(C)CCC=C(C)CCC=C(C)COC1OC(CO)C(O)C(O)C1O)OC1OC(COC(=O)CC(=O)O)C(O)C(O)C1OAglycone:
C=CC(C)(O)CCC=C(C)CCC=C(C)CCC=C(C)CO.COC(=O)CC(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.71 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 20 |
| MolWt: | 716.82 | Num_heavy_atoms: | 50 |
| TPSA: | 242.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD03073
Formula: C20H34O2
Smiles:
C=CC(C)(O)CCC=C(C)CCC=C(C)CCC=C(C)CO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 5.1 | Num_rotatable_bonds: | 11 |
| MolWt: | 306.49 | Num_heavy_atoms: | 22 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
AD04733
Formula: C4H6O4
Smiles:
COC(=O)CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 118.09 | Num_heavy_atoms: | 8 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
